3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide

C17H23ClN2O2 — CID 113116338

IUPAC3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-13(21)20(15-7-3-4-8-15)11-10-17(22)19-12-14-6-2-5-9-16(14)18/h2,5-6,9,15H,3-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyDNZHMYHRLSPJHE-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.14
Rot. Bonds6

About 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide

3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113116338) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113116338
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-13(21)20(15-7-3-4-8-15)11-10-17(22)19-12-14-6-2-5-9-16(14)18/h2,5-6,9,15H,3-4,7-8,10-12H2,1H3,(H,19,22)
InChIKeyDNZHMYHRLSPJHE-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide (CID 113116338) is 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1Cl)C1CCCC1.
What is the InChIKey of 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is DNZHMYHRLSPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13(21)20(15-7-3-4-8-15)11-10-17(22)19-12-14-6-2-5-9-16(14)18/h2,5-6,9,15H,3-4,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 322.84 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113116338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).